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Understanding Molecular Crystals with Dispersion-Inclusive Density Functional Theory: Pairwise Corrections and Beyond
American Chemical Society | 2014| -
ELECTRONIC STRUCTURE OF METAL-ORGANIC COMPLEXES FROM AN OPTIMALLY-TUNED RANGE-SEPARATED HYBRID FUNCTIONAL
British Library Conference Proceedings | 2019| -
Fundamental gaps with approximate density functionals: The derivative discontinuity revealed from ensemble considerations
American Institute of Physics | 2014| -
Ensemble generalized Kohn–Sham theory: The good, the bad, and the ugly
American Institute of Physics | 2021| -
Ionisation and (de-)protonation energies of gas-phase amino acids from an optimally tuned range-separated hybrid functional
Taylor & Francis Verlag | 2016|
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